Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 6/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 5/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.32 |
| ▸ | PRF1 | P14222 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.31 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.31 |
| ▸ | FLT3 | P36888 | 2/20 | 0.31 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30310922 | 1.00 | CYP17A1 (0.38) | CYP17A1PIM1PIM2PIM3PRF1 | |
| SCHEMBL24823375 | 0.86 | CYP17A1 (0.39) | CYP17A1PIM1PIM2PIM3CLK4 | |
| SCHEMBL29010946 | 0.76 | NTRK2 (0.35) | CYP17A1PRF1CLK4DYRK1BFYN | |
| SCHEMBL30148364 | 0.76 | CYP17A1 (0.39) | CYP17A1PRF1PARP1 | |
| SCHEMBL24823320 | 0.76 | CYP17A1 (0.39) | CYP17A1PRF1PARP1 | |
| SCHEMBL24823322 | 0.74 | RXFP1 (0.38) | — | |
| SCHEMBL30311034 | 0.74 | RXFP1 (0.38) | — | |
| SCHEMBL24823325 | 0.72 | — | — | |
| SCHEMBL30310958 | 0.72 | — | — | |
| SCHEMBL29010943 | 0.72 | KDM4E (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022267930-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2022-12-29 | — | — | WO | disclosed |